1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine

C83H172N6 — CID 157260003

IUPAC1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine
SMILESCC(C)CC(C)(C)CN1CCC(C(C)C)CC1.CC(C)CC(C)(C)CN1CCCC(C(C)C)C1.CC(C)CCCN1CC(C(C)C)C1.CC(C)CCN1CCC(C(C)C)CC1.CC(C)CCN1CCC(C(C)C)CC1.CC(C)CCN1CCCC(C(C)C)C1
InChIInChI=1S/2C16H33N.3C13H27N.C12H25N/c1-13(2)11-16(5,6)12-17-9-7-15(8-10-17)14(3)4;1-13(2)10-16(5,6)12-17-9-7-8-15(11-17)14(3)4;2*1-11(2)5-8-14-9-6-13(7-10-14)12(3)4;1-11(2)7-9-14-8-5-6-13(10-14)12(3)4;1-10(2)6-5-7-13-8-12(9-13)11(3)4/h2*13-15H,7-12H2,1-6H3;3*11-13H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3
InChIKeyAXIOJQACKBHZIW-UHFFFAOYSA-N
MW1254.33 g/mol
LogP22.07
Rot. Bonds27

About 1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine

1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine (PubChem CID 157260003) has the molecular formula C83H172N6 and a molecular weight of 1254.33 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine
PubChem CID157260003
Molecular FormulaC83H172N6
Molecular Weight1254.33 g/mol
Exact Mass1253.36
IUPAC Name1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine
SMILESCC(C)CC(C)(C)CN1CCC(C(C)C)CC1.CC(C)CC(C)(C)CN1CCCC(C(C)C)C1.CC(C)CCCN1CC(C(C)C)C1.CC(C)CCN1CCC(C(C)C)CC1.CC(C)CCN1CCC(C(C)C)CC1.CC(C)CCN1CCCC(C(C)C)C1
InChIInChI=1S/2C16H33N.3C13H27N.C12H25N/c1-13(2)11-16(5,6)12-17-9-7-15(8-10-17)14(3)4;1-13(2)10-16(5,6)12-17-9-7-8-15(11-17)14(3)4;2*1-11(2)5-8-14-9-6-13(7-10-14)12(3)4;1-11(2)7-9-14-8-5-6-13(10-14)12(3)4;1-10(2)6-5-7-13-8-12(9-13)11(3)4/h2*13-15H,7-12H2,1-6H3;3*11-13H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3
InChIKeyAXIOJQACKBHZIW-UHFFFAOYSA-N
XLogP22.07
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001254.33
LogP ≤ 522.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine with MolForge

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Launch Full Analysis

Related Compounds

3-Methyl-1-[4-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)butyl]-1-azoniabicyclo[2.2.2]octane
CID 3063245
3-Methyl-1-[5-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)pentyl]-1-azoniabicyclo[2.2.2]octane
CID 3063455
3-Methyl-1-[7-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)heptyl]-1-azoniabicyclo[2.2.2]octane
CID 3063634
3-Methyl-1-[6-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)hexyl]-1-azoniabicyclo[2.2.2]octane
CID 3063691
1-Hexadecyl-4-[6-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2,3,4,5-tetramethylhexyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 57831551
1-Tert-butyl-4-[2-(4-tert-butylpiperazin-1-yl)ethyl]piperazine;1-tert-butyl-4-[2-(1-tert-butylpiperidin-4-yl)ethyl]piperazine;1-tert-butyl-4-[2-(4-tert-butylpiperidin-1-yl)ethyl]piperidine;1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]piperazine;1-tert-butyl-4-[(4-tert-butylpiperidin-1-yl)methyl]piperidine;1-tert-butyl-4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methyl]piperazine;1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2,2-dimethylpropyl)piperazine;bis(1-tert-butyl-4-(piperidin-1-ylmethyl)piperidine);ethane
CID 157362860
2,9-Bis(2-methylpropyl)-2,9-diazaspiro[5.5]undecane;3,9-bis(2-methylpropyl)-3,9-diazaspiro[5.5]undecane;ethane;2-methylpropane;9-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane
CID 158145515
Bis(1-tert-butyl-4-[(3-tert-butylazetidin-1-yl)methyl]piperidine);3-tert-butyl-9-(2,2-dimethylpropyl)-3,9-diazaspiro[5.5]undecane;3,9-ditert-butyl-3,9-diazaspiro[5.5]undecane
CID 158149543
1,2-Dimethyl-1-propylpiperidin-1-ium;1,3-dimethyl-1-propylpiperidin-1-ium;1,4-dimethyl-1-propylpiperidin-1-ium;1,2,3-trimethyl-1-propylpiperidin-1-ium;1,2,4-trimethyl-1-propylpiperidin-1-ium;1,2,6-trimethyl-1-propylpiperidin-1-ium;1,3,4-trimethyl-1-propylpiperidin-1-ium
CID 158191215
1,4-Bis(2,3,3-trimethylbutan-2-yl)piperazine;bis(1,3-bis(2,3,3-trimethylbutan-2-yl)piperidine);bis(1,4-bis(2,3,3-trimethylbutan-2-yl)piperidine);methane
CID 158217418
4-Tert-butyl-2,3-dimethyl-1-propan-2-ylpiperidine;4-tert-butyl-2,6-dimethyl-1-propan-2-ylpiperidine;4-tert-butyl-2-methyl-1-propan-2-ylpiperidine;4-tert-butyl-3-methyl-1-propan-2-ylpiperidine;4-tert-butyl-4-methyl-1-propan-2-ylpiperidine;4-tert-butyl-1-propan-2-ylpiperidine;4-tert-butyl-2,2,6,6-tetramethyl-1-propan-2-ylpiperidine
CID 158478736
(2S,4S)-2,4-dimethyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;(2R,4R)-2,4-dimethyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;(2S,5R)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2R,5R)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2S,5S)-2,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2S,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(3S,5R)-3,5-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;(2R)-2-methyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(3S)-3-methyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine;(4R)-4-methyl-1-(3-methylbutyl)-3-propan-2-ylpiperidine;1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine
CID 158816505

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine?
The IUPAC name of 1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine (CID 157260003) is 1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine.
What is the SMILES notation for 1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine?
The canonical SMILES for 1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine is CC(C)CC(C)(C)CN1CCC(C(C)C)CC1.CC(C)CC(C)(C)CN1CCCC(C(C)C)C1.CC(C)CCCN1CC(C(C)C)C1.CC(C)CCN1CCC(C(C)C)CC1.CC(C)CCN1CCC(C(C)C)CC1.CC(C)CCN1CCCC(C(C)C)C1.
What is the InChIKey of 1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine?
The InChIKey is AXIOJQACKBHZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H33N.3C13H27N.C12H25N/c1-13(2)11-16(5,6)12-17-9-7-15(8-10-17)14(3)4;1-13(2)10-16(5,6)12-17-9-7-8-15(11-17)14(3)4;2*1-11(2)5-8-14-9-6-13(7-10-14)12(3)4;1-11(2)7-9-14-8-5-6-13(10-14)12(3)4;1-10(2)6-5-7-13-8-12(9-13)11(3)4/h2*13-15H,7-12H2,1-6H3;3*11-13H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3.
What are the key properties of 1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine?
1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine has a molecular weight of 1254.33 g/mol, XLogP of 22.07, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-propan-2-ylpiperidine;bis(1-(3-methylbutyl)-4-propan-2-ylpiperidine);1-(4-methylpentyl)-3-propan-2-ylazetidine;3-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine;4-propan-2-yl-1-(2,2,4-trimethylpentyl)piperidine is sourced from PubChem (CID 157260003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).